Chaparrinone triacetate,15-dehydro-

HCID 433175

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Basic information

CAS: 79752-54-8
Standard SMILES: CC(=O)OCC12C3=CC(=O)OC1CC1C(C)=CC(=O)C(OC(C)=O)C1(C)C2C(=O)C(OC(C)=O)C3C
InChIKey: VYQXUJXNZSWNRT-UHFFFAOYSA-N
Molecular formula: C26H30O10
Average molar mass: 502.5 g/mol
Monoisotopic mass: 502.18389715

Names & identifiers

Preferred name: Chaparrinone triacetate,15-dehydro-
IUPAC: (3,15-diacetyloxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate

Names & synonyms

NSC32462779752-54-8CHAPARRINONE TRIACETATE,15-DEHYDRO-DTXSID10330865NSC-324627.DELTA.14,15-Chaparrinone triacetate2,11,16-Trioxopicrasa-3,14-diene-1,12,20-triyl triacetate

Database identifiers

CAS: 79752-54-8
PubChem CID: 433175
DTXSID: DTXSID10330865

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 139 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 1,130

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